8Q4B: Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-163.1)

PDB ID: 8Q4BDownload
MMDB ID: 251005
PDB Deposition Date: 2023/8/5
Updated in MMDB: 2024/08
Experimental Method:
x-ray diffraction
Resolution: 1.28  Å
Source Organism:
Similar Structures:
Biological Unit for 8Q4B: monomeric; determined by author
Molecular Components in 8Q4B
Label Count Molecule
Protein (1 molecule)
1
Endothiapepsin
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
1
(3R,5R)-3-(2-{[ethynyl(methyl)amino]methyl}-1,3-thiazol-4-yl)-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (Link to PubChem not yet available)(3R,5R)-3-(2-{[ethynyl(methyl)amino]methyl}-1,3-thiazol-4-yl)-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
2
2
(4S)-2-METHYL-2,4-PENTANEDIOL (Link to PubChem not yet available)(4S)-2-METHYL-2,4-PENTANEDIOL
3
2
ACETATE ION (Link to PubChem not yet available)ACETATE ION
4
3
DIMETHYL SULFOXIDE (Link to PubChem not yet available)DIMETHYL SULFOXIDE
5
1
DI(HYDROXYETHYL)ETHER (Link to PubChem not yet available)DI(HYDROXYETHYL)ETHER
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303